Crystallography Open Database

Information card for entry 7701868

Preview

Coordinates	7701868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 Cl6 F2 P2 Ru
Calculated formula	C50 H42 Cl6 F2 P2 Ru
Title of publication	The First Coordination Polymers with an [O]2[N]P(S)-Hg Segment: A Combined Experimental, Theoretical and Database Study of Covalent Bonds and Non-covalent Interactions
Authors of publication	Torabi, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel; Shchegravina, Ekaterina S.
Journal of publication	Dalton Transactions
Year of publication	2019
a	21.2731 ± 0.0007 Å
b	12.7309 ± 0.0004 Å
c	19.7955 ± 0.0007 Å
α	90°
β	117.563 ± 0.001°
γ	90°
Cell volume	4752.7 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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