Crystallography Open Database

Information card for entry 4311908

4311907 << 4311908 >> 4311909

Preview

Coordinates	4311908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Mo3 N3 Ni O15 P2
Calculated formula	C13 H12 Mo3 N3 Ni 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	9.6676 ± 0.0005 Å
b	11.0988 ± 0.0005 Å
c	11.5999 ± 0.0006 Å
α	70.135 ± 0.001°
β	75.46 ± 0.001°
γ	70.887 ± 0.001°
Cell volume	1092.29 ± 0.09 Å³
Cell temperature	91 ± 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	0.0269
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0563
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4311908.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311908.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311908.cif
3410	2010-11-15	../uploads/cif-deposit/cod/cif Adding structures of 4311908 via cif-deposit CGI script.	4311908.cif