Crystallography Open Database

Information card for entry 1512892

Preview

Coordinates	1512892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H96 Mo15 N30 Ni6 O90 P6
Calculated formula	C42 H42 Mo15 N30 Ni6 O90 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	13.3222 ± 0.0011 Å
b	20.5941 ± 0.0017 Å
c	22.403 ± 0.0018 Å
α	98.136 ± 0.002°
β	94.315 ± 0.002°
γ	100.023 ± 0.002°
Cell volume	5960.2 ± 0.8 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	0.106
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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.	1512892.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512892.cif
91053	2013-12-03	cif/ Adding structures of 1512892 via cif-deposit CGI script.	1512892.cif