Crystallography Open Database

Information card for entry 4124347

Preview

Coordinates	4124347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H52 Cl2 N2 P2
Calculated formula	C48.9998 H51.9996 Cl1.9996 N1.9996 P1.9996
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	12.2499 ± 0.0003 Å
b	12.3493 ± 0.0003 Å
c	28.5036 ± 0.0008 Å
α	90°
β	91.237 ± 0.002°
γ	90°
Cell volume	4310.95 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4124347.html