Crystallography Open Database

Information card for entry 4319698

4319697 << 4319698 >> 4319699

Preview

Coordinates	4319698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cu Mo2 N2 O12 P2
Calculated formula	C13 H10 Cu Mo2 N2 O12 P2
Title of publication	A New Class of Organic-Inorganic Hybrid Materials: Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO32-Family
Authors of publication	Robert C. Finn; Jon Zubieta
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2466 - 2467
a	11.8674 ± 0.001 Å
b	10.398 ± 0.0009 Å
c	15.6954 ± 0.0014 Å
α	90°
β	107.937 ± 0.002°
γ	90°
Cell volume	1842.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0735
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179276 (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 4/31/96.	4319698.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319698.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319698.cif
16499	2011-03-24	../uploads/cif-deposit/cod/cif Adding structures of 4319698 via cif-deposit CGI script.	4319698.cif