Crystallography Open Database

Information card for entry 1558741

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Structure parameters

Formula	C129 H117 Co9 N9 P6 Se8
Calculated formula	C129 H117 Co9 N9 P6 Se8
Title of publication	Hierarchical Nanosheets Built from Superatomic Clusters: Properties, Exfoliation and Single-Crystal-to-Single-Crystal Intercalation
Authors of publication	Kephart, Jonathan; Romero, Catherine G.; Tseng, Chun-Chih; Anderton, Kevin J.; Yankowitz, Matthew; Kaminsky, Werner; Velian, Alexandra
Journal of publication	Chemical Science
Year of publication	2020
a	30.1353 ± 0.0008 Å
b	15.1296 ± 0.0005 Å
c	33.4288 ± 0.001 Å
α	90°
β	116.579 ± 0.001°
γ	90°
Cell volume	13630.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0589
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558741.cif
254752	2020-08-04	cif/ Adding structures of 1558739, 1558740, 1558741, 1558742, 1558743 via cif-deposit CGI script.	1558741.cif