Crystallography Open Database

Information card for entry 7046958

Preview

Coordinates	7046958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl4 O5 P S
Calculated formula	C23 H25 Cl4 O5 P S
Title of publication	ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium.
Authors of publication	Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10139 - 10146
a	8.5873 ± 0.0012 Å
b	11.2568 ± 0.0015 Å
c	14.919 ± 0.002 Å
α	109.369 ± 0.004°
β	102.428 ± 0.005°
γ	95.686 ± 0.004°
Cell volume	1305.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for all reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0339
Weighted residual factors for all reflections included in the refinement	0.0335
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229809 (current)	2019-11-17	cif/ Updating files of 7046957, 7046958, 7046959 Original log message: Adding full bibliography for 7046957--7046959.cif.	7046958.cif
208893	2018-07-07	cif/ Adding structures of 7046957, 7046958, 7046959 via cif-deposit CGI script.	7046958.cif