Crystallography Open Database

Information card for entry 4335618

Preview

Coordinates	4335618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H44 Mo6 N5 O34 P
Calculated formula	C21 H16 Mo6 N5 O34 P
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	12.473 ± 0.002 Å
b	14.023 ± 0.002 Å
c	16.024 ± 0.002 Å
α	93.372 ± 0.003°
β	105.949 ± 0.003°
γ	91.991 ± 0.003°
Cell volume	2686.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1958
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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.	4335618.cif
101553	2014-02-14	cif/ Adding structures of 4335618 via cif-deposit CGI script.	4335618.cif