Crystallography Open Database

Information card for entry 4334017

Preview

Coordinates	4334017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H168 Ce2 Mo N6 O16 P12
Calculated formula	C72 H168 Ce2 Mo N6 O16 P12
Title of publication	Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-
Authors of publication	Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2556 - 2563
a	12.6951 ± 0.0011 Å
b	13.0938 ± 0.0012 Å
c	17.7937 ± 0.0016 Å
α	78.786 ± 0.002°
β	79.136 ± 0.001°
γ	62.847 ± 0.001°
Cell volume	2564.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0985
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2056
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179443 (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 4/33/40.	4334017.cif
99827	2014-02-03	cif/ Adding structures of 4334017 via cif-deposit CGI script.	4334017.cif