Crystallography Open Database

Information card for entry 4339194

Preview

Coordinates	4339194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C106 H165 Cr2
Calculated formula	C106 H165 Cr2
Title of publication	Substituent effects in formally quintuple-bonded ArCrCrAr compounds (Ar = terphenyl) and related species.
Authors of publication	Wolf, Robert; Ni, Chengbao; Nguyen, Tailuan; Brynda, Marcin; Long, Gary J.; Sutton, Andrew D.; Fischer, Roland C.; Fettinger, J. C.; Hellman, Matthew; Pu, Lihung; Power, Philip P.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11277 - 11290
a	19.0106 ± 0.0012 Å
b	19.0748 ± 0.0012 Å
c	26.7964 ± 0.0017 Å
α	90.915 ± 0.001°
β	93.208 ± 0.001°
γ	90.861 ± 0.001°
Cell volume	9699.3 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0758
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1966
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339194.cif
117196	2014-06-14	cif/ Adding structures of 4339194 via cif-deposit CGI script.	4339194.cif