Crystallography Open Database

Information card for entry 7048528

Preview

Coordinates	7048528.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Mg{(tBu2pz)2CHSiMe2NPh}({N(SiHMe2)2} . 0.75 C5H12
Formula	C38.75 H73 Mg N6 Si3
Calculated formula	C38.75 H73 Mg N6 Si3
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	19.749 ± 0.0009 Å
b	11.0055 ± 0.0005 Å
c	22.6313 ± 0.001 Å
α	90°
β	110.253 ± 0.002°
γ	90°
Cell volume	4614.7 ± 0.4 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	0.1757
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for all reflections	0.1097
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.1389
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.	7048528.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.	7048528.cif