Crystallography Open Database

Information card for entry 4322273

Preview

Coordinates	4322273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Cu Mo N2 O5
Calculated formula	C12 H8 Cu Mo N2 O5
Title of publication	Solid-State Coordination Chemistry of Metal Oxides: Hydrothermal Synthesis and Structural Characterization of o-Phenanthroline-Ligated Copper- and Zinc-Molybdenum Oxides
Authors of publication	Pamela J. Hagrman; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4480 - 4485
a	14.05 ± 0.001 Å
b	5.8818 ± 0.0004 Å
c	16.2268 ± 0.0011 Å
α	90°
β	103.586 ± 0.001°
γ	90°
Cell volume	1303.45 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1101
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.2054
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179325 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22.	4322273.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322273.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322273.cif
20544	2011-06-11	../uploads/cif-deposit/cod/cif Adding structures of 4322273 via cif-deposit CGI script.	4322273.cif