Crystallography Open Database

Information card for entry 7042745

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Coordinates	7042745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H89 Br2 Cu2 N6 Si6
Calculated formula	C49 H89 Br2 Cu2 N6 Si6
SMILES	[Br]1[Cu]([Br][Cu]1[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.c1c(cccc1)C
Title of publication	Strikingly diverse reactivity of structurally identical silylene and stannylene
Authors of publication	Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	20
Pages of publication	6528 - 6532
a	11.0391 ± 0.001 Å
b	16.2036 ± 0.0016 Å
c	18.0379 ± 0.0016 Å
α	85.486 ± 0.002°
β	72.999 ± 0.002°
γ	75.928 ± 0.002°
Cell volume	2992.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1368
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
297324 (current)	2025-01-15	Updated bibliographic information in entries 7042742-7042746.	7042745.cif
195647	2017-04-21	cif/ Adding structures of 7042742, 7042743, 7042744, 7042745, 7042746 via cif-deposit CGI script.	7042745.cif