Crystallography Open Database

Information card for entry 4311909

4311908 << 4311909 >> 4311910

Preview

Coordinates	4311909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cu Mo3 N3 O15 P2
Calculated formula	C13 H12 Cu Mo3 N3 O15 P2
Title of publication	Solid-State Coordination Chemistry of the Oxomolybdate-Organodiphosphonate/Nickel-Organoimine System: Structural Influences of the Secondary Metal Coordination Cation and Diphosphonate Tether Lengths
Authors of publication	Eric Burkholder; Vladimir Golub; Charles J. O'Connor; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7014 - 7029
a	9.6137 ± 0.0006 Å
b	11.3905 ± 0.0007 Å
c	11.5527 ± 0.0007 Å
α	70.774 ± 0.001°
β	74.806 ± 0.001°
γ	70.495 ± 0.001°
Cell volume	1109.4 ± 0.12 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	0.0316
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
179158 (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 4/31/19.	4311909.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311909.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311909.cif
3411	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311909 via cif-deposit CGI script.	4311909.cif