Crystallography Open Database

Information card for entry 4334322

Preview

Coordinates	4334322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H120 Br2 Mn2 N2 O2 Si2
Calculated formula	C108 H120 Br2 Mn2 N2 O2 Si2
SMILES	c1c(cc(c(c1C(c1ccccc1)c1ccccc1)N([Mn]1([O]2CCCC2)[Br][Mn](N(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)[Si](C)(C)C)([O]2CCCC2)[Br]1)[Si](C)(C)C)C(c1ccccc1)c1ccccc1)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
Title of publication	Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems
Authors of publication	Jamie Hicks; Cameron Jones
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3900 - 3907
a	11.7659 ± 0.0004 Å
b	12.7628 ± 0.0003 Å
c	17.1373 ± 0.0006 Å
α	106.413 ± 0.003°
β	103.649 ± 0.003°
γ	97.608 ± 0.002°
Cell volume	2343.51 ± 0.14 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334322.cif
100140	2014-02-04	cif/ Adding structures of 4334322 via cif-deposit CGI script.	4334322.cif