Crystallography Open Database

Information card for entry 4124349

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Coordinates	4124349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H64 N3 P2
Calculated formula	C62 H64 N3 P2
Title of publication	Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls.
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	31
Pages of publication	9953 - 9962
a	12.3616 ± 0.0003 Å
b	15.5017 ± 0.0004 Å
c	15.7423 ± 0.0004 Å
α	115.357 ± 0.001°
β	103.209 ± 0.001°
γ	98.064 ± 0.001°
Cell volume	2554.8 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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