Crystallography Open Database

Information card for entry 4311881

Preview

Coordinates	4311881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H85 I Mo7 N4 O26 P2
Calculated formula	C70 H76 I Mo7 N4 O26 P2
Title of publication	[(IMo7O26)2]6-: A Missing Link between Molecular and Solid Oxides
Authors of publication	Daisuke Honda; Tomoji Ozeki; Atsushi Yagasaki
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6893 - 6895
a	18.9475 ± 0.0001 Å
b	27.4414 ± 0.0001 Å
c	17.4546 ± 0.0001 Å
α	90°
β	116.4 ± 0.0003°
γ	90°
Cell volume	8128.99 ± 0.07 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	7
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	0.0289
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179157 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/18.	4311881.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311881.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311881.cif
3383	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311881 via cif-deposit CGI script.	4311881.cif