Crystallography Open Database

Information card for entry 7019233

7019232 << 7019233 >> 7019234

Preview

Coordinates	7019233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Br2 Mg N3
Calculated formula	C27 H35 Br2 Mg N3
Title of publication	Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands.
Authors of publication	Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	8098 - 8110
a	12.5029 ± 0.002 Å
b	12.5029 ± 0.002 Å
c	15.991 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2164.8 ± 0.6 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019233.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019233.cif
62811	2012-07-09	cif/ Adding structures of 7019232, 7019233 via cif-deposit CGI script.	7019233.cif