Crystallography Open Database

Information card for entry 7048499

Preview

Coordinates	7048499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 B Cl3 N4 O2 P Ru S2
Calculated formula	C29 H27 B Cl3 N4 O2 P Ru S2
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	9.7228 ± 0.0001 Å
b	18.6012 ± 0.0001 Å
c	17.8876 ± 0.0001 Å
α	90°
β	97.7641 ± 0.0007°
γ	90°
Cell volume	3205.42 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	9
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	0.03
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections	0.0775
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.0112
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224146 (current)	2019-11-07	cif/ Updating files of 7048492, 7048493, 7048494, 7048495, 7048496, 7048497, 7048498, 7048499, 7048500 Original log message: Adding full bibliography for 7048492--7048500.cif.	7048499.cif
212950	2019-01-11	cif/ Adding structures of 7048492, 7048493, 7048494, 7048495, 7048496, 7048497, 7048498, 7048499, 7048500 via cif-deposit CGI script.	7048499.cif