Crystallography Open Database

Information card for entry 4335092

Preview

Coordinates	4335092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H83.5 Mo6 N3.5 O20.5
Calculated formula	C41.804 H83.01 Mo6 N3.5 O20.451
Title of publication	Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations
Authors of publication	Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6551 - 6558
a	19.9827 ± 0.0006 Å
b	24.1195 ± 0.001 Å
c	23.8593 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	11499.5 ± 0.7 Å³
Cell temperature	102.2 K
Ambient diffraction temperature	102.2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4335092.cif
100996	2014-02-10	cif/ Adding structures of 4335092 via cif-deposit CGI script.	4335092.cif