Crystallography Open Database

Information card for entry 4077177

Preview

Coordinates	4077177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H28 B Cl2 F24 Mn O3
Calculated formula	C54 H28 B Cl2 F24 Mn O3
Title of publication	Structure and Bonding Properties of the Complex (η5-Diphenylfulvene)Mn(CO)3+
Authors of publication	Volland, Martin A. O.; Kudis, Steffen; Helmchen, Günter; Hyla-Kryspin, Isabella; Rominger, Frank; Gleiter, Rolf
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	1
Pages of publication	227
a	12.6457 ± 0.0008 Å
b	14.0369 ± 0.0009 Å
c	16.6141 ± 0.001 Å
α	75.733 ± 0.001°
β	77.77 ± 0.001°
γ	71.565 ± 0.001°
Cell volume	2682.6 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0889
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178660 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/71.	4077177.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077177.cif
54244	2012-04-24	cif/ Adding structures of 4077177, 4077178 via cif-deposit CGI script.	4077177.cif