Crystallography Open Database

Information card for entry 4341989

4341988 << 4341989 >> 4341990

Preview

Coordinates	4341989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H37 F26 N11 O P4 Ru2
Calculated formula	C46 H37 F26 N11 O P4 Ru2
Title of publication	Oxo-Bridge Scenario behind Single-Site Water-Oxidation Catalysts.
Authors of publication	López, Isidoro; Maji, Somnath; Benet-Buchholz, J; Llobet, Antoni
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	658 - 666
a	13.24 ± 0.003 Å
b	14.214 ± 0.003 Å
c	18.518 ± 0.004 Å
α	95.23 ± 0.03°
β	96.87 ± 0.03°
γ	116.81 ± 0.03°
Cell volume	3046.3 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.2205
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179522 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/19.	4341989.cif
130513	2015-02-04	cif/ Updating files of 4341987, 4341988, 4341989, 4341990, 4341991, 4341992, 4341993, 4341994, 4341995, 4341996 Original log message: Adding full bibliography for 4341987--4341996.cif.	4341989.cif
129149	2014-12-30	cif/ Adding structures of 4341987, 4341988, 4341989, 4341990, 4341991, 4341992, 4341993, 4341994, 4341995, 4341996 via cif-deposit CGI script.	4341989.cif