Crystallography Open Database

Information card for entry 7021440

Preview

Coordinates	7021440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 N2 O2 P2 Ru
Calculated formula	C42 H50 N2 O2 P2 Ru
SMILES	[RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(O)[NH2]C(C([NH2]1)(C)C)(C)C.O
Title of publication	Structural properties of trans hydrido-hydroxo M(H)(OH)(NH2CMe2CMe2NH2)(PPh3)2 (M = Ru, Os) complexes and their proton exchange behaviour with water in solution.
Authors of publication	Prokopchuk, Demyan E.; Collado, Alba; Lough, Alan J.; Morris, Robert H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	28
Pages of publication	10214 - 10220
a	13.9422 ± 0.0004 Å
b	15.7847 ± 0.0002 Å
c	16.9683 ± 0.0004 Å
α	90°
β	94.244 ± 0.0009°
γ	90°
Cell volume	3724.03 ± 0.15 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 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	0.0751
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021440.cif
86942	2013-07-12	cif/ Adding structures of 7021440, 7021441 via cif-deposit CGI script.	7021440.cif