Crystallography Open Database

Information card for entry 7249577

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Coordinates	7249577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 Cl N6 O6 Ru2
Calculated formula	C41 H46 Cl N6 O6 Ru2
Title of publication	Intrinsically chiral paddlewheel diruthenium complexes
Authors of publication	Coloma, Isabel; Herrero, Santiago; Cortijo, Miguel
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	47
Pages of publication	6739 - 6747
a	12.9823 ± 0.0004 Å
b	13.7386 ± 0.0004 Å
c	14.3812 ± 0.0004 Å
α	93.766 ± 0.002°
β	109.216 ± 0.003°
γ	112.885 ± 0.003°
Cell volume	2175.45 ± 0.14 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0366
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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