Crystallography Open Database

Information card for entry 7048552

Preview

Coordinates	7048552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 B Mo N7 O2 Se
Calculated formula	C26 H42 B Mo N7 O2 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	9.9705 ± 0.0002 Å
b	9.9833 ± 0.0002 Å
c	16.69 ± 0.0003 Å
α	94.7874 ± 0.0015°
β	94.4024 ± 0.0013°
γ	111.773 ± 0.0011°
Cell volume	1526.95 ± 0.05 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections	0.0842
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	0.8731
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.	7048552.cif
212963	2019-01-11	cif/ Adding structures of 7048552, 7048553, 7048554, 7048555 via cif-deposit CGI script.	7048552.cif