Crystallography Open Database

Information card for entry 4113522

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Coordinates	4113522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H108 N10 Re
Calculated formula	C55 H104.5 N10 Re
Title of publication	New Cyanometalate Building Units: Synthesis and Characterization of [Re(CN)7]3- and [Re(CN)8]3-
Authors of publication	Miriam V. Bennett; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	2394 - 2395
a	22.9918 ± 0.0003 Å
b	23.086 ± 0.0003 Å
c	23.0773 ± 0.0005 Å
α	90°
β	90.755 ± 0.001°
γ	90°
Cell volume	12248.1 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	4
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	0.1165
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for all reflections	0.1489
Weighted residual factors for significantly intense reflections	0.125
Goodness-of-fit parameter for all reflections	1.249
Goodness-of-fit parameter for significantly intense reflections	1.364
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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