Crystallography Open Database

Information card for entry 1548926

Preview

Coordinates	1548926.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Th(CCtolyl)(BIMA)3
Formula	C33 H58 N6 Th
Calculated formula	C33 H58 N6 Th
SMILES	CC(C)[N]1=C(C)N(C(C)C)[Th]231(C#Cc1ccc(C)cc1)([N](C(C)C)=C(C)N2C(C)C)[N](C(C)C)=C(C)N3C(C)C
Title of publication	Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
Authors of publication	Settineri, Nicholas S.; Arnold, John
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	10
Pages of publication	2831 - 2841
a	19.0249 ± 0.0009 Å
b	10.3942 ± 0.0005 Å
c	19.133 ± 0.0009 Å
α	90°
β	110.105 ± 0.0018°
γ	90°
Cell volume	3553 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.017
Residual factor for significantly intense reflections	0.0148
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
228634 (current)	2019-11-17	cif/ Updating files of 1548917, 1548918, 1548919, 1548920, 1548921, 1548922, 1548923, 1548924, 1548925, 1548926, 1548927 Original log message: Adding full bibliography for 1548917--1548927.cif.	1548926.cif
206474	2018-02-17	cif/ Adding structures of 1548917, 1548918, 1548919, 1548920, 1548921, 1548922, 1548923, 1548924, 1548925, 1548926, 1548927 via cif-deposit CGI script.	1548926.cif