Crystallography Open Database

Information card for entry 4309056

Preview

Coordinates	4309056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.2 H61 Ca2 Cl12 N16 Nb6 O7
Calculated formula	C69.184 H60.368 Ca2 Cl12 N16 Nb6 O7
Title of publication	The First Coordination Polymers and Hydrogen Bonded Networks Containing Octahedral Nb6 Clusters and Alkaline Earth Metal Complexes
Authors of publication	Zhihua Yan; Cynthia S. Day; Abdessadek Lachgar
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4499 - 4505
a	11.5499 ± 0.0006 Å
b	17.5305 ± 0.0008 Å
c	21.7842 ± 0.001 Å
α	90°
β	100.877 ± 0.001°
γ	90°
Cell volume	4331.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309056.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309056.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309056.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309056.cif