Crystallography Open Database

Information card for entry 4509050

Preview

Coordinates	4509050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76 Co2 N4 O15.5
Calculated formula	C68 H76 Co2 N4 O15.5
Title of publication	Structural Variation from 1D to 3D: Effects of Temperature and pH Value on the Construction of Co(II)-H2tbip/bpp Mixed Ligands System
Authors of publication	Ma, Lu-Fang; Wang, Li-Ya; Lu, Dan-Hua; Batten, Stuart R.; Wang, Jian-Ge
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1741
a	14.4201 ± 0.0009 Å
b	19.6832 ± 0.0013 Å
c	24.3937 ± 0.0016 Å
α	90°
β	95.632 ± 0.001°
γ	90°
Cell volume	6890.3 ± 0.8 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.1143
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4509050.cif
97087	2014-01-29	cif/ Adding structures of 4509050 via cif-deposit CGI script.	4509050.cif