Crystallography Open Database

Information card for entry 4508797

Preview

Coordinates	4508797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Cu3 K Mo8 N10 O26
Calculated formula	C50 H32 Cu3 K Mo8 N10 O26
Title of publication	Molecular and Multidimensional Organic−Inorganic Hybrids Based on Polyoxometalates and Copper Coordination Polymer with Mixed 4,4‘-Bipyridine and 2,2‘-Bipyridine Ligands
Authors of publication	Jin, Hua; Qi, Yanfei; Wang, Enbo; Li, Yangguang; Wang, Xinlong; Qin, Chao; Chang, Song
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	12
Pages of publication	2693
a	10.072 ± 0.002 Å
b	13.42 ± 0.003 Å
c	13.568 ± 0.003 Å
α	87.78 ± 0.03°
β	70.07 ± 0.03°
γ	69 ± 0.03°
Cell volume	1602.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179623 (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 4/50/87.	4508797.cif
96938	2014-01-29	cif/ Adding structures of 4508797 via cif-deposit CGI script.	4508797.cif