Crystallography Open Database

Information card for entry 4068122

Preview

Coordinates	4068122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H94 Ag4 Br4 Cl6 N12
Calculated formula	C74 H88 Ag4 Br4 Cl6 N12
Title of publication	Synthesis and Structure of Silver and Rhodium 1,2,3-Triazol-5-ylidene Mesoionic Carbene Complexes
Authors of publication	Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	456
a	17.0605 ± 0.0002 Å
b	23.2997 ± 0.0003 Å
c	11.8865 ± 0.0003 Å
α	90°
β	117.34 ± 0.001°
γ	90°
Cell volume	4197.15 ± 0.13 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0752
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2446
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
178571 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81.	4068122.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068122.cif
38086	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068120, 4068121, 4068122 via cif-deposit CGI script.	4068122.cif