Crystallography Open Database

Information card for entry 4334328

Preview

Coordinates	4334328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Br N O Si Zn
Calculated formula	C40 H44 Br N O Si Zn
SMILES	Br[Zn]([O]1CCCC1)N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1
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	15.6064 ± 0.0005 Å
b	15.0567 ± 0.0004 Å
c	30.4145 ± 0.0008 Å
α	90°
β	97.485 ± 0.003°
γ	90°
Cell volume	7085.9 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4334328.cif
100146	2014-02-04	cif/ Adding structures of 4334328 via cif-deposit CGI script.	4334328.cif