Crystallography Open Database

Information card for entry 7704689

Preview

Coordinates	7704689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H63 Bi F3 N5 O4 Os P2 S
Calculated formula	C45 H63 Bi F3 N5 O4 Os P2 S
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	12.6934 ± 0.0005 Å
b	18.0522 ± 0.0006 Å
c	22.1871 ± 0.0008 Å
α	90°
β	104.476 ± 0.001°
γ	90°
Cell volume	4922.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0286
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7704689.cif
253348	2020-06-23	cif/ Adding structures of 7704686, 7704687, 7704688, 7704689 via cif-deposit CGI script.	7704689.cif