Crystallography Open Database

Information card for entry 7709277

Preview

Coordinates	7709277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 K N2 O6 P S2
Calculated formula	C22 H42 K N2 O6 P S2
Title of publication	Ion-bearing stairs: alkali metal complexes of 1,2-diaza-4-phospholides.
Authors of publication	Zhao, Minggang; Xue, Tingting; He, Ru-Ru; Ma, Jianping; Zheng, Wenjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1634 - 1645
a	17.2868 ± 0.0005 Å
b	13.3235 ± 0.0003 Å
c	13.0097 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2996.4 ± 0.13 Å³
Cell temperature	230.01 ± 0.1 K
Ambient diffraction temperature	230.01 ± 0.1 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272694 (current)	2022-02-04	cif/ Updating files of 7709271, 7709272, 7709273, 7709274, 7709275, 7709276, 7709277, 7709278 Original log message: Adding full bibliography for 7709271--7709278.cif.	7709277.cif
271980	2022-01-11	cif/ Adding structures of 7709271, 7709272, 7709273, 7709274, 7709275, 7709276, 7709277, 7709278 via cif-deposit CGI script.	7709277.cif