Crystallography Open Database

Information card for entry 4338989

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Coordinates	4338989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H69 Cl N6 O3 P4 Ru
Calculated formula	C64 H69 Cl N6 O3 P4 Ru
SMILES	[Ru]1234([c]5(C)[c]1([c]2(C)[c]3([c]45C)C)C)([P]12CN(c3ccccc3)P(N(C1)c1ccccc1)N(C2)c1ccccc1)([P]12CN(c3ccccc3)P(N(C1)c1ccccc1)N(C2)c1ccccc1)Cl.o1cccc1.o1cccc1.o1cccc1
Title of publication	Comparisons of phosphorus ligation properties in P(CH2NR)3P.
Authors of publication	Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9351 - 9363
a	21.617 ± 0.003 Å
b	12.1196 ± 0.0017 Å
c	25.563 ± 0.004 Å
α	90°
β	109.264 ± 0.002°
γ	90°
Cell volume	6322.2 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.0701
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.771
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338989.cif
117047	2014-06-14	cif/ Adding structures of 4338989 via cif-deposit CGI script.	4338989.cif