Crystallography Open Database

Information card for entry 4334320

Preview

Coordinates	4334320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H120 Cl2 Cr2 N2 O6 Si2
Calculated formula	C96 H120 Cl2 Cr2 N2 O6 Si2
SMILES	c1(c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)N([Cr]1([O]2CCCC2)[Cl][Cr](N(c2c(cc(cc2C(c2ccccc2)c2ccccc2)C)C(c2ccccc2)c2ccccc2)[Si](C)(C)C)([O]2CCCC2)[Cl]1)[Si](C)(C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
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	11.8071 ± 0.0005 Å
b	13.1447 ± 0.0006 Å
c	15.4536 ± 0.0008 Å
α	70.737 ± 0.004°
β	71.481 ± 0.004°
γ	81.584 ± 0.004°
Cell volume	2144.58 ± 0.19 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	0.076
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4334320.cif
100138	2014-02-04	cif/ Adding structures of 4334320 via cif-deposit CGI script.	4334320.cif