Crystallography Open Database

Information card for entry 2232835

Preview

Coordinates	2232835.cif
Structure factors	2232835.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-tetrakis[(1<i>H</i>- benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate
Formula	C76 H81 N24 O14.5 Pb2
Calculated formula	C76 H81 N24 O14.5 Pb2
Title of publication	(Nitrato-κ<i>O</i>){<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) hemiaqua{<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)methyl]cyclohexane-1,2-diamine}lead(II) trinitrate dihydrate
Authors of publication	Xiao, Zuo-an; Jiang, Ting-ting
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	12
Pages of publication	m1854 - m1855
a	12.5485 ± 0.0008 Å
b	18.5378 ± 0.0011 Å
c	19.2839 ± 0.0012 Å
α	64.516 ± 0.001°
β	81.957 ± 0.002°
γ	79.675 ± 0.001°
Cell volume	3973.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181250 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/28.	2232835.cif 2232835.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2232835.cif 2232835.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232835.cif 2232835.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2232835.cif 2232835.hkl
31968	2012-01-03	hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures.	2232835.cif 2232835.hkl
31716	2012-01-02	../uploads/cif-deposit/cod/cif Adding structures of 2232835 via cif-deposit CGI script.	2232835.cif