Crystallography Open Database

Information card for entry 4320822

4320821 << 4320822 >> 4320823

Preview

Coordinates	4320822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H29 Cl2 Mn N3 O3 P
Calculated formula	C27 H29 Cl2 Mn N3 O3 P
Title of publication	A Linear, Four-Spin Mn(II)-Nitronyl-Nitroxide-Substituted Phosphine Oxide System Exhibiting Both Antiferro- and Ferromagnetic Interactions
Authors of publication	Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Philippe Guionneau; Daniel Chasseau; Janis Kliava; Olivier Kahn
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1602 - 1605
a	10.234 ± 0.002 Å
b	10.438 ± 0.002 Å
c	13.853 ± 0.002 Å
α	81.12 ± 0.01°
β	79.63 ± 0.01°
γ	78.42 ± 0.01°
Cell volume	1415.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0695
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179311 (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 4/32/08.	4320822.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320822.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320822.cif
18135	2011-04-27	../uploads/cif-deposit/cod/cif Adding structures of 4320822 via cif-deposit CGI script.	4320822.cif