Crystallography Open Database

Information card for entry 7003202

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Coordinates	7003202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 B F4 N O0.25 P2 Ru
Calculated formula	C46 H46 B F4 N O0.25 P2 Ru
Title of publication	The preparation and characterisation of ruthenium cyanovinylidene complexes
Authors of publication	Brown, Neil J.; Eckert, Prisca K.; Fox, Mark A.; Yufit, Dmitri S.; Howard, Judith A. K.; Low, Paul J.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	4
Pages of publication	433 - 436
a	10.409 ± 0.0002 Å
b	20.3029 ± 0.0004 Å
c	19.1301 ± 0.0004 Å
α	90°
β	91.26 ± 0.01°
γ	90°
Cell volume	4041.84 ± 0.14 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0311
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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