Crystallography Open Database

Information card for entry 4323812

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Coordinates	4323812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 F3 O4 P2 Rh S
Calculated formula	C38 H30 F6 O2 P2 Rh S
Title of publication	Evaluation of Triflate Displacement by Water in CH2Cl2 Solution: Comparison of trans-[Rh(CO)(PPh3)2(OSO2CF3)] and the Crystalline Salt trans-[Rh(CO)(PPh3)2(OH2)][OTf]
Authors of publication	Anna Svetlanova-Larsen; John L. Hubbard
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	3073 - 3076
a	23.401 ± 0.008 Å
b	9.122 ± 0.004 Å
c	17.047 ± 0.006 Å
α	90°
β	107.03 ± 0.03°
γ	90°
Cell volume	3479 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.2126
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for all reflections	0.2308
Weighted residual factors for significantly intense reflections	0.174
Goodness-of-fit parameter for all reflections	1.108
Goodness-of-fit parameter for significantly intense reflections	1.22
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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