Crystallography Open Database

Information card for entry 7704688

Preview

Coordinates	7704688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H64 Bi F6 N4 O Os P2 Sb
Calculated formula	C46 H64 Bi F6 N4 O Os P2 Sb
Title of publication	Combined experimental and theoretical studies towards mutual osmium-bismuth donor/acceptor bonding.
Authors of publication	Ramler, Jacqueline; Radacki, Krzysztof; Abbenseth, Josh; Lichtenberg, Crispin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	26
Pages of publication	9024 - 9034
a	13.2411 ± 0.0004 Å
b	15.4304 ± 0.0003 Å
c	13.5367 ± 0.0003 Å
α	90°
β	115.709 ± 0.003°
γ	90°
Cell volume	2491.97 ± 0.12 Å³
Cell temperature	183 ± 0.1 K
Ambient diffraction temperature	183 ± 0.1 K
Number of distinct elements	9
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
254992 (current)	2020-08-06	cif/ Updating files of 7704686, 7704687, 7704688, 7704689 Original log message: Adding full bibliography for 7704686--7704689.cif.	7704688.cif
253348	2020-06-23	cif/ Adding structures of 7704686, 7704687, 7704688, 7704689 via cif-deposit CGI script.	7704688.cif