Crystallography Open Database

Information card for entry 7048495

Preview

Coordinates	7048495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Cl5 N2 O P2 Ru S
Calculated formula	C42 H37 Cl5 N2 O P2 Ru S
Title of publication	Methimazolyl based diptych bicyclo-[3.3.0]-ruthenaboratranes.
Authors of publication	Ma, Chenxi; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	1976 - 1992
a	11.5279 ± 0.0001 Å
b	20.9802 ± 0.0001 Å
c	18.3591 ± 0.0002 Å
α	90°
β	108.039 ± 0.0009°
γ	90°
Cell volume	4222.02 ± 0.07 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for all reflections	0.0782
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	0.9994
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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