Crystallography Open Database

Information card for entry 7126972

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Structure parameters

Formula	C30 H56 B2 Cl2 N6
Calculated formula	C30 H56 B2 Cl2 N6
Title of publication	Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).
Authors of publication	Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	68
Pages of publication	9807 - 9810
a	17.638 ± 0.0016 Å
b	17.638 ± 0.0016 Å
c	24.541 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7634.7 ± 1.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.1142
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation probe	x-ray
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7126972.cif
256010	2020-09-06	cif/ Updating files of 7126970, 7126971, 7126972 Original log message: Adding full bibliography for 7126970--7126972.cif.	7126972.cif
254563	2020-07-25	cif/ Adding structures of 7126972 via cif-deposit CGI script.	7126972.cif