Crystallography Open Database

Information card for entry 4123515

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Coordinates	4123515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H53 N3 Sb
Calculated formula	C51 H53 N3 Sb
Title of publication	Cyclo-Pnicta-triazanes: Biradicaloids - or Zwitterions?
Authors of publication	Hinz, Alexander; Schulz, Axel; Villinger, Alexander; Wolter, Jan-Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Pages of publication	150316134803000
a	10.4767 ± 0.0003 Å
b	11.3451 ± 0.0004 Å
c	20.0371 ± 0.0007 Å
α	104.057 ± 0.001°
β	93.989 ± 0.001°
γ	110.832 ± 0.001°
Cell volume	2127.07 ± 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	0.0331
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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