Crystallography Open Database

Information card for entry 1512891

Preview

Coordinates	1512891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H99 Co6 Mo15 N30 O91.5 P6
Calculated formula	C42 H42 Co6 Mo15 N30 O91.5 P6
Title of publication	Three-dimensional bimetallic oxides constructed from molybdophosphonate chains and secondary-metal/4-pyridyltetrazole components
Authors of publication	Stephanie Jones; Kari Darling; Jon Zubieta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	89 - 94
a	13.3722 ± 0.0009 Å
b	20.7095 ± 0.0014 Å
c	22.3043 ± 0.0016 Å
α	98.186 ± 0.001°
β	94.368 ± 0.001°
γ	100.239 ± 0.001°
Cell volume	5983.7 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0777
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512891.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512891.cif
91052	2013-12-03	cif/ Adding structures of 1512891 via cif-deposit CGI script.	1512891.cif