Crystallography Open Database

Information card for entry 7048527

Preview

Coordinates	7048527.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(tBupz)2CHSiMe2Cl
Formula	C25 H45 Cl N4 Si
Calculated formula	C25 H45 Cl N4 Si
Title of publication	Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.
Authors of publication	Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4124 - 4138
a	9.8478 ± 0.0002 Å
b	16.9303 ± 0.0003 Å
c	17.3365 ± 0.0003 Å
α	90°
β	100.764 ± 0.0007°
γ	90°
Cell volume	2839.59 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0835
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for all reflections	0.0677
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
224283 (current)	2019-11-08	cif/ Updating files of 7048527, 7048528, 7048529, 7048530, 7048531, 7048532, 7048533, 7048534, 7048535, 7048536, 7048537, 7048538 Original log message: Adding full bibliography for 7048527--7048538.cif.	7048527.cif
212959	2019-01-11	cif/ Adding structures of 7048527, 7048528, 7048529, 7048530, 7048531, 7048532, 7048533, 7048534, 7048535, 7048536, 7048537, 7048538 via cif-deposit CGI script.	7048527.cif