Crystallography Open Database

Information card for entry 4329692

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Coordinates	4329692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H65 N8 O4 Ru2
Calculated formula	C62 H65 N8 O4 Ru2
Title of publication	Diruthenium(III,III) Ethynyl-phenyleneimine Molecular Wires: Preparation via On-Complex Schiff Base Condensation
Authors of publication	Steven P. Cummings; Zhi Cao; Phillip E. Fanwick; Anastasia Kharlamova; Tong Ren
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7561 - 7568
a	21.1419 ± 0.0014 Å
b	17.9006 ± 0.0011 Å
c	16.4044 ± 0.0007 Å
α	90°
β	115.188 ± 0.004°
γ	90°
Cell volume	5618 ± 0.6 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	5
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	0.074
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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