Crystallography Open Database

Information card for entry 4512514

Preview

Coordinates	4512514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H57 Co N2
Calculated formula	C38 H57 Co N2
SMILES	[Co]123([N](=C(C(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)C1CC(C[CH]3=[C]21C)C(C)C
Title of publication	High-Activity Cobalt Catalysts for Alkene Hydroboration with Electronically Responsive Terpyridine and α-Diimine Ligands
Authors of publication	Palmer, W. Neil; Diao, Tianning; Pappas, Iraklis; Chirik, Paul J.
Journal of publication	ACS Catalysis
Year of publication	2015
Journal volume	5
Journal issue	2
Pages of publication	622
a	38.978 ± 0.005 Å
b	10.046 ± 0.005 Å
c	18.259 ± 0.005 Å
α	90 ± 0.005°
β	104.3 ± 0.005°
γ	90 ± 0.005°
Cell volume	6928 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0396
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512514.cif
132746	2015-03-04	cif/ Updating files of 4512512, 4512513, 4512514, 4512515, 4512516 Original log message: Adding full bibliography for 4512512--4512516.cif.	4512514.cif
129094	2014-12-30	cif/ Adding structures of 4512512, 4512513, 4512514, 4512515, 4512516 via cif-deposit CGI script.	4512514.cif