Crystallography Open Database

Information card for entry 8102594

Preview

Coordinates	8102594.cif

Structure parameters

Formula	C17 H17 Cd N5 O9
Calculated formula	C17 H17 Cd N5 O9
Title of publication	Crystal structure of aqua(2,2'-bipyridine-k2N:N')-(nitrato)-(4-aminobenzoato)cadmium(II) nitrate, [Cd(H2O)(NO3)(C10H8N2)(C7H7NO2)][NO3]
Authors of publication	Yi-Fang Deng; Man-Sheng Chen; Chun-Hua Zhang; Dai-Zhi Kuang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	707
a	14.3545 ± 0.0013 Å
b	8.5015 ± 0.0008 Å
c	16.4308 ± 0.0015 Å
α	90°
β	93.57 ± 0.001°
γ	90°
Cell volume	2001.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	8102594.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.	8102594.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102594.cif
13333	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102594 via cif-deposit CGI script.	8102594.cif