Crystallography Open Database

Information card for entry 4304436

Preview

Coordinates	4304436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cl2 N3 O P Ru
Calculated formula	C26 H30 Cl2 N3 O P Ru
SMILES	[Ru]12345(Cl)(Cl)([P]67C(N8CN(C6)CN(C7)C8)C(O)(c6ccccc6)c6ccccc6)[c]6([cH]5[cH]4[cH]3[cH]2[cH]16)C
Title of publication	Insertion of CO2, Ketones, and Aldehydes into the C-Li Bond of 1,3,5-Triaza-7-phosphaadamantan-6-yllithium
Authors of publication	Gene W. Wong; Wei-Chih Lee; Brian J. Frost
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	612 - 620
a	9.7656 ± 0.0003 Å
b	20.5066 ± 0.0007 Å
c	12.643 ± 0.0004 Å
α	90°
β	95.364 ± 0.001°
γ	90°
Cell volume	2520.79 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0603
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179082 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44.	4304436.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304436.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304436.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304436.cif