Crystallography Open Database

Information card for entry 7000197

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Coordinates	7000197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H36 Cl2 N3 P Ru
Calculated formula	C41.5 H36 Cl2 N3 P Ru
Title of publication	Tricyanovinylalkynyl‒metal complexes: synthesis and some reactions
Authors of publication	Bruce, Michael I.; Burgun, Aléxandre; Kramarczuk, Kathy A.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	33 - 36
a	19.8831 ± 0.0006 Å
b	8.7254 ± 0.0003 Å
c	24.023 ± 0.0008 Å
α	90°
β	114.101 ± 0.001°
γ	90°
Cell volume	3804.4 ± 0.2 Å³
Cell temperature	150 ± 2 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	0.1269
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	0.847
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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