Crystallography Open Database

Information card for entry 7714642

Preview

Coordinates	7714642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Br2 Mg2 N4 O6
Calculated formula	C42 H50 Br2 Mg2 N4 O6
Title of publication	Grignard reagents as deprotonation agents for oxazoline-amido-phenolate ligands: structural and catalytic implications with the role of halogen ions.
Authors of publication	Chen, Ming-Tsz; Wu, Pei-Zheng; Liao, Chi-Chung; Hung, Kai-Wei; Shen, Pin-Chi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	2
Pages of publication	738 - 745
a	9.9392 ± 0.0005 Å
b	13.5508 ± 0.0007 Å
c	17.0101 ± 0.0009 Å
α	102.251 ± 0.002°
β	95.511 ± 0.002°
γ	104.691 ± 0.002°
Cell volume	2138.24 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
289515 (current)	2024-02-04	cif/ Updating files of 7714640, 7714641, 7714642 Original log message: Adding full bibliography for 7714640--7714642.cif.	7714642.cif
288170	2023-12-08	cif/ Adding structures of 7714640, 7714641, 7714642 via cif-deposit CGI script.	7714642.cif