Crystallography Open Database

Information card for entry 7712640

Preview

Coordinates	7712640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H48 Al N4 P Se
Calculated formula	C31 H48 Al N4 P Se
SMILES	[Al]1([Se]=P(N1c1c(cccc1C(C)C)C(C)C)(N=C1N(C=CN1C(C)(C)C)C(C)(C)C)c1ccccc1)(C)C
Title of publication	N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.
Authors of publication	Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	16.5351 ± 0.0004 Å
b	11.726 ± 0.0003 Å
c	17.1772 ± 0.0005 Å
α	90°
β	102.702 ± 0.002°
γ	90°
Cell volume	3248.99 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0451
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
281900 (current)	2023-03-16	cif/ Adding structures of 7712638, 7712639, 7712640, 7712641, 7712642, 7712643, 7712644, 7712645, 7712646, 7712647, 7712648 via cif-deposit CGI script.	7712640.cif