Crystallography Open Database

Information card for entry 7059073

Preview

Coordinates	7059073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Br4 N6 Se2 Zn2
Calculated formula	C36 H38 Br4 N6 Se2 Zn2
Title of publication	Highly active mesoionic chalcogenone zinc(ii) derivatives for C‒S cross-coupling reactions
Authors of publication	Vaddamanu, Moulali; Velappan, Kavitha; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	1
Pages of publication	129 - 140
a	10.0434 ± 0.0003 Å
b	13.9747 ± 0.0004 Å
c	15.7202 ± 0.0005 Å
α	90°
β	102.367 ± 0.003°
γ	90°
Cell volume	2155.19 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.1067
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.0394
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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