Crystallography Open Database

Information card for entry 7000439

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Coordinates	7000439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H84 N12 O21 P2 Ru
Calculated formula	C78 H84 N12 O21 P2 Ru
Title of publication	The comparison of fac and mer ruthenium(ii) trischelate complexes in anion binding
Authors of publication	Baker, Naomi C. A.; McGaughey, Neil; Fletcher, Nicholas C.; Chernikov, Aleksey V.; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	6
Pages of publication	965 - 972
a	13.8358 ± 0.0016 Å
b	15.4583 ± 0.0017 Å
c	19.865 ± 0.003 Å
α	67.525 ± 0.007°
β	88.438 ± 0.005°
γ	86.237 ± 0.007°
Cell volume	3917.5 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1911
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.2339
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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