Crystallography Open Database

Information card for entry 7121370

Preview

Coordinates	7121370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H112 N8 O2 P4 S4
Calculated formula	C64 H112 N8 O2 P4 S4
Title of publication	Orthogonality in main group compounds: a direct one-step synthesis of air- and moisture-stable cyclophosphazanes by mechanochemistry.
Authors of publication	Sim, Ying; Tan, Davin; Ganguly, Rakesh; Li, Yongxin; García, Felipe
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	50
Pages of publication	6800 - 6803
a	24.3568 ± 0.0006 Å
b	9.8974 ± 0.0002 Å
c	28.2283 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6805 ± 0.3 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	0.0673
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
228314 (current)	2019-11-17	cif/ Updating files of 7121365, 7121366, 7121367, 7121368, 7121369, 7121370 Original log message: Adding full bibliography for 7121365--7121370.cif.	7121370.cif
206852	2018-03-09	cif/ Adding structures of 7121365, 7121366, 7121367, 7121368, 7121369, 7121370 via cif-deposit CGI script.	7121370.cif