Crystallography Open Database

Information card for entry 7712643

Preview

Coordinates	7712643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Al N5 P Se
Calculated formula	C40 H52 Al N5 P Se
SMILES	[Se]=P1(N(c2c(cccc2C(C)C)C(C)C)[Al]([N]1=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C)[n+]1ccccc1
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	10.1884 ± 0.001 Å
b	17.2889 ± 0.0019 Å
c	22.976 ± 0.003 Å
α	90°
β	91.623 ± 0.003°
γ	90°
Cell volume	4045.5 ± 0.8 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7712643.cif