Crystallography Open Database

Information card for entry 7703235

Preview

Coordinates	7703235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H134 N4 Na2 O11 Re2
Calculated formula	C98 H134 N4 Na2 O11 Re2
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	26.7486 ± 0.0011 Å
b	14.7414 ± 0.0006 Å
c	23.335 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9201.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	7703235.cif