Crystallography Open Database

Information card for entry 8102469

Preview

Coordinates	8102469.cif

Structure parameters

Formula	C21 H26 N2 Ni O9
Calculated formula	C21 H26 N2 Ni O9
Title of publication	Crystal structure of tetraaqua-(4,4'-bipyridyl)zinc(II) 3-(4-(carboxymethoxy)phenyl)propanoate, [Ni(H2O)4(C10H8N2)][C11H10O5]
Authors of publication	Yun-Nan Gong; Chong-Bo Liu; De-He Huang; Zhi-Qiang Xiong
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	421
a	7.0946 ± 0.0005 Å
b	7.6046 ± 0.0006 Å
c	10.3449 ± 0.0008 Å
α	91.811 ± 0.001°
β	101.853 ± 0.001°
γ	94.38 ± 0.001°
Cell volume	543.99 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0304
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102469.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102469.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102469.cif
13208	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102469 via cif-deposit CGI script.	8102469.cif