Crystallography Open Database

Information card for entry 7048500

Preview

Coordinates	7048500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H87 B3 N12 O21 P6 Ru3 S6
Calculated formula	C45 H87 B3 N12 O21 P6 Ru3 S6
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	9.4439 ± 0.0001 Å
b	15.2581 ± 0.0003 Å
c	26.4419 ± 0.0004 Å
α	93.167 ± 0.0014°
β	92.0931 ± 0.0012°
γ	93.9263 ± 0.0013°
Cell volume	3792.31 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for all reflections	0.0975
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.0496
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7048500.cif
212950	2019-01-11	cif/ Adding structures of 7048492, 7048493, 7048494, 7048495, 7048496, 7048497, 7048498, 7048499, 7048500 via cif-deposit CGI script.	7048500.cif