Crystallography Open Database

Information card for entry 7020340

7020339 << 7020340 >> 7020341

Preview

Coordinates	7020340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H24 Cl3 In N O6 P
Calculated formula	C17 H24 Cl3 In N O6 P
SMILES	[In](Cl)(Cl)(Cl)([O]=P(OCC)(OCC)CN1C(=O)c2ccccc2C1=O)[O]1CCCC1
Title of publication	Synthesis and structures of a pentanuclear Al(III) phosphonate cage, an In(III) phosphonate polymer, and coordination compounds of the corresponding phosphonate ester with GaI3 and InCl3.
Authors of publication	Richards, Anne F.; Beavers, Christine M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	37
Pages of publication	11305 - 11310
a	7.9265 ± 0.0003 Å
b	8.0262 ± 0.0003 Å
c	21.3673 ± 0.0009 Å
α	99.131 ± 0.004°
β	92.125 ± 0.003°
γ	117.475 ± 0.004°
Cell volume	1181.3 ± 0.09 Å³
Cell temperature	173.2 K
Ambient diffraction temperature	173.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179907 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/03.	7020340.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020340.cif
71571	2013-01-20	cif/ Adding structures of 7020338, 7020339, 7020340 via cif-deposit CGI script.	7020340.cif