Crystallography Open Database

Information card for entry 7121178

Preview

Coordinates	7121178.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	JMG274V3
Formula	C25 H25 In N2
Calculated formula	C25 H25 In N2
SMILES	[In]([n]1ccc(cc1)N(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis of bench-stable solid triorganoindium reagents and reactivity in palladium-catalyzed cross-coupling reactions.
Authors of publication	Gil-Negrete, José M; Pérez Sestelo, José; Sarandeses, Luis A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	12
Pages of publication	1453 - 1456
a	12.3494 ± 0.0007 Å
b	12.6121 ± 0.0007 Å
c	13.8333 ± 0.0008 Å
α	90°
β	98.628 ± 0.003°
γ	90°
Cell volume	2130.2 ± 0.2 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	0.043
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0552
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
228604 (current)	2019-11-17	cif/ Updating files of 7121178 Original log message: Adding full bibliography for 7121178.cif.	7121178.cif
205475	2018-01-23	cif/ Adding structures of 7121178 via cif-deposit CGI script.	7121178.cif