Crystallography Open Database

Information card for entry 1515997

Preview

Coordinates	1515997.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[RCoCl][BF4]
Formula	C56 H56 B Cl Co F4 N4 P4
Calculated formula	C56 H56 B Cl Co F4 N4 P4
Title of publication	Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere
Authors of publication	Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
Journal of publication	Energy & Environmental Science
Year of publication	2008
Journal volume	1
Journal issue	1
Pages of publication	167
a	34.2939 ± 0.0013 Å
b	12.9425 ± 0.0005 Å
c	28.6361 ± 0.0011 Å
α	90°
β	121.872 ± 0.001°
γ	90°
Cell volume	10793.8 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
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	0.0634
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515997.cif
113068	2014-05-08	cif/ Adding structures of 1515997, 1515998 via cif-deposit CGI script.	1515997.cif