Crystallography Open Database

Information card for entry 7042716

Preview

Coordinates	7042716.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Mn(BiCl2)(CO)3(CNArDipp2)2
Formula	C73 H89 Bi Cl2 Mn N2 O5
Calculated formula	C73 H89 Bi Cl2 Mn N2 O5
SMILES	[Bi]([Mn](C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(cccc1C(C)C)C(C)C)(C#[N]c1c(c2c(cccc2C(C)C)C(C)C)cccc1c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])C#[O])(Cl)Cl.O1CCCC1.O1CCCC1
Title of publication	Comparison of Nucleophilic- and Radical-Based Routes to the Formation of Manganese-Main Group Element Single Bonds
Authors of publication	Figueroa, Joshua S.; Agnew, Douglas W.; Moore, Curtis E.; Rheingold, Arnold L.
Journal of publication	Dalton Trans.
Year of publication	2017
a	17.0881 ± 0.001 Å
b	16.5315 ± 0.0009 Å
c	24.8358 ± 0.0014 Å
α	90°
β	105.362 ± 0.001°
γ	90°
Cell volume	6765.2 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1749
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
195532 (current)	2017-04-19	cif/ Adding structures of 7042715, 7042716, 7042717, 7042718 via cif-deposit CGI script.	7042716.cif