Crystallography Open Database

Information card for entry 4335620

Preview

Coordinates	4335620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H130 Mo24 N20 O125 P4
Calculated formula	C18 H12 Mo24 N20 O125 P4
Title of publication	Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations
Authors of publication	Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8987 - 8992
a	16.5531 ± 0.0019 Å
b	30.271 ± 0.003 Å
c	30.99 ± 0.004 Å
α	90°
β	94.132 ± 0.003°
γ	90°
Cell volume	15488 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1635
Residual factor for significantly intense reflections	0.1116
Weighted residual factors for significantly intense reflections	0.2662
Weighted residual factors for all reflections included in the refinement	0.2832
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335620.cif
101555	2014-02-14	cif/ Adding structures of 4335620 via cif-deposit CGI script.	4335620.cif