Crystallography Open Database

Information card for entry 4311974

4311973 << 4311974 >> 4311975

Preview

Coordinates	4311974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Mn N4 O12 P4
Calculated formula	C12 H32 Mn N4 O12 P4
Title of publication	DOTP-Manganese and -Nickel Complexes: from a Tetrahedral Network with 12-Membered Rings to an Ionic Phosphonate
Authors of publication	Kong; Dmitri G. Medvedev; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7308 - 7314
a	12.349 ± 0.002 Å
b	12.349 ± 0.002 Å
c	14.066 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2145 ± 0.8 Å³
Cell temperature	383 ± 2 K
Ambient diffraction temperature	383 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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.	4311974.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311974.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311974.cif
3476	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4311974 via cif-deposit CGI script.	4311974.cif