Crystallography Open Database

Information card for entry 4509048

Preview

Coordinates	4509048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H52 Co3 N2 O13
Calculated formula	C49 H52 Co3 N2 O13
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	10.8783 ± 0.0009 Å
b	14.209 ± 0.0012 Å
c	17.9997 ± 0.0015 Å
α	97.044 ± 0.001°
β	100.515 ± 0.001°
γ	105.132 ± 0.001°
Cell volume	2597.8 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0392
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179626 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/90.	4509048.cif
97085	2014-01-29	cif/ Adding structures of 4509048 via cif-deposit CGI script.	4509048.cif