Crystallography Open Database

Information card for entry 4514029

Preview

Coordinates	4514029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H60 F12 N10 O7 P2 Ru2
Calculated formula	C61 H60 F12 N10 O7 P2 Ru2
Title of publication	Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation
Authors of publication	Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc
Journal of publication	ACS Catalysis
Year of publication	2017
Journal volume	7
Journal issue	3
Pages of publication	2116
a	18.7376 ± 0.0007 Å
b	22.1944 ± 0.0008 Å
c	15.7519 ± 0.0006 Å
α	90°
β	90.788 ± 0.003°
γ	90°
Cell volume	6550.1 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
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	0.0558
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
193401 (current)	2017-03-04	cif/ Updating files of 4514028, 4514029 Original log message: Adding full bibliography for 4514028--4514029.cif.	4514029.cif
192194	2017-02-17	cif/ Adding structures of 4514028, 4514029 via cif-deposit CGI script.	4514029.cif