Crystallography Open Database

Information card for entry 7048553

Preview

Coordinates	7048553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H61 B Cl4 Mo N6 O2 P2 Ru Se
Calculated formula	C61 H61 B Cl4 Mo N6 O2 P2 Ru Se
Title of publication	Isoselenocarbonyl complexes.
Authors of publication	Cade, Ian A.; Hill, Anthony F.; McQueen, Caitlin M. A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2000 - 2012
a	13.5618 ± 0.0003 Å
b	15.3628 ± 0.0004 Å
c	15.6564 ± 0.0004 Å
α	83.7605 ± 0.0013°
β	75.6795 ± 0.0015°
γ	78.2821 ± 0.0015°
Cell volume	3088.86 ± 0.13 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for all reflections	0.1285
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1285
Goodness-of-fit parameter for all reflections included in the refinement	1.0025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224152 (current)	2019-11-07	cif/ Updating files of 7048552, 7048553, 7048554, 7048555 Original log message: Adding full bibliography for 7048552--7048555.cif.	7048553.cif
212963	2019-01-11	cif/ Adding structures of 7048552, 7048553, 7048554, 7048555 via cif-deposit CGI script.	7048553.cif