Crystallography Open Database

Information card for entry 7712641

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Coordinates	7712641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 N4 P S
Calculated formula	C39 H47 N4 P S
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	8.446 ± 0.006 Å
b	12.251 ± 0.009 Å
c	18.836 ± 0.015 Å
α	94.52 ± 0.03°
β	100.34 ± 0.02°
γ	105 ± 0.03°
Cell volume	1836 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.154
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7712641.cif