Crystallography Open Database

Information card for entry 4341987

4341986 << 4341987 >> 4341988

Preview

Coordinates	4341987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44.5 Cl4 N10 O20 Ru2
Calculated formula	C50 H44.5 Cl4 N10 O20 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	12.3879 ± 0.0008 Å
b	13.3477 ± 0.0009 Å
c	16.7742 ± 0.0011 Å
α	96.503 ± 0.002°
β	97.743 ± 0.002°
γ	94.44 ± 0.002°
Cell volume	2718.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341987.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.	4341987.cif
129149	2014-12-30	cif/ Adding structures of 4341987, 4341988, 4341989, 4341990, 4341991, 4341992, 4341993, 4341994, 4341995, 4341996 via cif-deposit CGI script.	4341987.cif