Crystallography Open Database

Information card for entry 7113886

Preview

Coordinates	7113886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H51 Mn3 O6
Calculated formula	C69 H51 Mn3 O6
Title of publication	Electrocatalytic dimerisation of non-heteroatom-substituted manganese alkynylcarbene complexesElectronic supplementary information (ESI) available: details of syntheses and spectral characterisation of the new complexes, ORTEP plot of complex 3b. See http://www.rsc.org/suppdata/cc/b3/b300623a/
Authors of publication	Ortin, Yannick; Sournia-Saquet, Alix; Lugan, Noël; Mathieu, René
Journal of publication	Chemical Communications
Year of publication	2003
Journal issue	9
Pages of publication	1060
a	10.816 ± 0.0013 Å
b	18.331 ± 0.0018 Å
c	28.208 ± 0.004 Å
α	90°
β	100.244 ± 0.015°
γ	90°
Cell volume	5503.6 ± 1.2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	0.92
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113886.cif
115328	2014-06-03	cif/ Adding structures of 7113886, 7113887 via cif-deposit CGI script.	7113886.cif