Crystallography Open Database

Information card for entry 4071974

4071973 << 4071974 >> 4071975

Preview

Coordinates	4071974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H106 B Cl N6 O3.5 P2 Ru
Calculated formula	C83 H106 B Cl N6 O3.5 P2 Ru
Title of publication	Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes
Authors of publication	Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4657
a	29.5138 ± 0.0009 Å
b	19.7724 ± 0.0006 Å
c	26.3039 ± 0.0006 Å
α	90°
β	95.834 ± 0.002°
γ	90°
Cell volume	15270.4 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
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	0.0784
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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.	4071974.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071974.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071974.cif
44154	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071974 via cif-deposit CGI script.	4071974.cif