Crystallography Open Database

Information card for entry 7719777

7719776 << 7719777 >> 7719778

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Coordinates	7719777.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H82 Mg2 N6
Calculated formula	C64 H82 Mg2 N6
Title of publication	Magnesium Catalyzed Hydroamination of Carbodiimide and Hydroboration of Cyanamides †
Authors of publication	Nembenna, Sharanappa; Das, Anubhab; Mukhopadhyay, Sayantan; Rajput, Sagrika
Journal of publication	Dalton Transactions
Year of publication	2025
a	13.3229 ± 0.0001 Å
b	21.2795 ± 0.0001 Å
c	21.3755 ± 0.0001 Å
α	96.906 ± 0.001°
β	105.667 ± 0.001°
γ	98.937 ± 0.001°
Cell volume	5679.65 ± 0.07 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0468
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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