Crystallography Open Database

Information card for entry 1512893

Preview

Coordinates	1512893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24.5 Cu4 Mo5 N15 O23.75 P2
Calculated formula	C20 H19 Cu3.5 Mo5 N15 O23.5 P2
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	25.662 ± 0.003 Å
b	15.9357 ± 0.0018 Å
c	22.211 ± 0.003 Å
α	90°
β	114.353 ± 0.002°
γ	90°
Cell volume	8274.8 ± 1.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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.	1512893.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512893.cif
91054	2013-12-03	cif/ Adding structures of 1512893 via cif-deposit CGI script.	1512893.cif