Crystallography Open Database

Information card for entry 4511134

Preview

Coordinates	4511134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H153 Mo12 N6 O36.5
Calculated formula	C76 H153 Mo12 N6 O36.5
Title of publication	Synthetic, Structural, Spectroscopic, Electrochemical Studies and Self-assembly of Nanoscale Polyoxometalate−Organic Hybrid Molecular Dumbbells
Authors of publication	Zhu, Yi; Wang, Longsheng; Hao, Jian; Xiao, Zicheng; Wei, Yongge; Wang, Yuan
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	8
Pages of publication	3509
a	23.109 ± 0.005 Å
b	25.207 ± 0.005 Å
c	19.314 ± 0.004 Å
α	90°
β	95.53 ± 0.03°
γ	90°
Cell volume	11198 ± 4 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	0.1363
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
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.	4511134.cif
114713	2014-05-29	cif/ Adding structures of 4511134, 4511135 via cif-deposit CGI script.	4511134.cif