Crystallography Open Database

Information card for entry 7048592

Preview

Coordinates	7048592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 Br O S
Calculated formula	C17 H19 Br O S
Title of publication	A non-symmetric sulfur-based O,C,O-chelating pincer ligand leading to chiral germylene and stannylene.
Authors of publication	Deak, Noemi; Thillaye du Boullay, Olivier; Moraru, Ionut-Tudor; Mallet-Ladeira, Sonia; Madec, David; Nemes, Gabriela
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	7
Pages of publication	2399 - 2406
a	12.3587 ± 0.0005 Å
b	12.4755 ± 0.0005 Å
c	11.0104 ± 0.0004 Å
α	90°
β	107.929 ± 0.0013°
γ	90°
Cell volume	1615.16 ± 0.11 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
224311 (current)	2019-11-08	cif/ Updating files of 7048592, 7048593, 7048594, 7048595 Original log message: Adding full bibliography for 7048592--7048595.cif.	7048592.cif
213033	2019-01-13	cif/ Adding structures of 7048592, 7048593, 7048594, 7048595 via cif-deposit CGI script.	7048592.cif