Crystallography Open Database

Information card for entry 7709259

Preview

Coordinates	7709259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H54 Cl6 N4 O6 P2 Re2
Calculated formula	C57 H54 Cl6 N4 O6 P2 Re2
Title of publication	The reaction of rhenium nitrosyl with a sterically hindered NHC-carbene.
Authors of publication	Grieco, G.; Blacque, O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1521 - 1526
a	11.0987 ± 0.0002 Å
b	9.0183 ± 0.0001 Å
c	30.432 ± 0.0005 Å
α	90°
β	97.87 ± 0.001°
γ	90°
Cell volume	3017.29 ± 0.08 Å³
Cell temperature	183 ± 1 K
Ambient diffraction temperature	183 ± 1 K
Number of distinct elements	7
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	0.0469
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0616
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
272696 (current)	2022-02-04	cif/ Updating files of 7709258, 7709259 Original log message: Adding full bibliography for 7709258--7709259.cif.	7709259.cif
271937	2022-01-07	cif/ Adding structures of 7709258, 7709259 via cif-deposit CGI script.	7709259.cif