Crystallography Open Database

Information card for entry 7021934

7021933 << 7021934 >> 7021935

Preview

Coordinates	7021934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H13 Br N3 O3 Re
Calculated formula	C21 H13 Br N3 O3 Re
Title of publication	The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.
Authors of publication	Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	39
Pages of publication	14100 - 14114
a	10.6245 ± 0.0002 Å
b	11.8726 ± 0.0002 Å
c	30.9574 ± 0.0004 Å
α	90°
β	90.701 ± 0.002°
γ	90°
Cell volume	3904.69 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7021934.cif
88882	2013-10-09	cif/ Adding structures of 7021931, 7021932, 7021933, 7021934, 7021935, 7021936, 7021937 via cif-deposit CGI script.	7021934.cif