Crystallography Open Database

Information card for entry 4077327

Preview

Coordinates	4077327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 N2 O5 P4 Ru2
Calculated formula	C65 H58 N2 O6 P4 Ru2
SMILES	[Ru]123([Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(N3/N=C/C(=O)OCC)(C#[O])C#[O])(C#[O])C#[O].Cc1ccccc1
Title of publication	Synthesis and Reactivity of a Diruthenium Diazoalkane Complex
Authors of publication	Gao, Yuan; Jennings, Michael C.; Puddephatt, Richard J.; Jenkins, Hilary A.
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	16
Pages of publication	3500
a	11.9163 ± 0.0006 Å
b	22.1179 ± 0.0011 Å
c	22.3515 ± 0.0011 Å
α	90°
β	98.903 ± 0.001°
γ	90°
Cell volume	5820.1 ± 0.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1333
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
178662 (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 4/07/73.	4077327.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077327.cif
54295	2012-04-24	cif/ Adding structures of 4077327, 4077328, 4077329, 4077330 via cif-deposit CGI script.	4077327.cif