Crystallography Open Database

Information card for entry 7230836

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Structure parameters

Formula	C57 H138 N18 O3 P6 Se6
Calculated formula	C57 H138 N18 O3 P6 Se6
Title of publication	cis-Cyclodiphosph(v/v)azanes as highly stable and robust main group supramolecular building blocks
Authors of publication	Tan, Davin; Ng, Zi Xuan; Sim, Ying; Ganguly, Rakesh; García, Felipe
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	5998
a	50.3437 ± 0.0018 Å
b	17.142 ± 0.0005 Å
c	10.2119 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8812.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7230836.cif
228981	2019-11-17	cif/ Updating files of 7230835, 7230836, 7230837, 7230838, 7230839, 7230840, 7230841, 7230842, 7230843 Original log message: Adding full bibliography for 7230835--7230843.cif.	7230836.cif
208154	2018-06-06	cif/ Adding structures of 7230835, 7230836, 7230837, 7230838, 7230839, 7230840, 7230841, 7230842, 7230843 via cif-deposit CGI script.	7230836.cif