Crystallography Open Database

Information card for entry 4320368

4320367 << 4320368 >> 4320369

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Coordinates	4320368.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MnTMC
Formula	C40 H55 B Cl Mn N5
Calculated formula	C40 H55 B Cl Mn N5
Title of publication	Synthesis, X-ray Structure, Electrochemical, and EPR Studies of a Pentacoordinated Mn(II) Tetramethylcyclam Complex
Authors of publication	Christophe Bucher; Emmanuelle Duval; Jean-Michel Barbe; Jean-Noël Verpeaux; Christian Amatore; Roger Guilard; Laurent Le Pape; Jean-Marc Latour; S. Dahaoui; Claude Lecomte
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5722 - 5726
a	11.514 ± 0.002 Å
b	13.3 ± 0.003 Å
c	14.225 ± 0.003 Å
α	74.86 ± 0.03°
β	72.61 ± 0.03°
γ	74.31 ± 0.03°
Cell volume	1962.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179306 (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 4/32/03.	4320368.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320368.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320368.cif
17276	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320368 via cif-deposit CGI script.	4320368.cif