Crystallography Open Database

Information card for entry 7703236

Preview

Coordinates	7703236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H102 N4 O2 Re2 Zr
Calculated formula	C80 H102 N4 O2 Re2 Zr
Title of publication	Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.
Authors of publication	Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	48
Pages of publication	17936 - 17944
a	38.4204 ± 0.0019 Å
b	10.5896 ± 0.0005 Å
c	18.2368 ± 0.0008 Å
α	90°
β	108.02 ± 0.002°
γ	90°
Cell volume	7055.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0474
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
246604 (current)	2020-01-05	cif/ Adding structures of 7703227, 7703228, 7703229, 7703230, 7703231, 7703232, 7703233, 7703234, 7703235, 7703236, 7703237 via cif-deposit CGI script.	7703236.cif