Crystallography Open Database

Information card for entry 1572000

1571999 << 1572000 >> 1572001

Preview

Coordinates	1572000.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NPU-6
Formula	C108 H69 Mn9 N18 O33
Calculated formula	C108 H69 Mn9 N18 O33
Title of publication	Ordered assembly of two different metal clusters with the same topological connectivity in one single coordination network.
Authors of publication	Cao, Jian-Wei; Zhang, Tao; Chen, Juan; Wang, Jin-Bo; Wang, Yu; Chen, Kai-Jie
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	11928 - 11936
a	17.1984 ± 0.0007 Å
b	17.1984 ± 0.0007 Å
c	18.6767 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	4784.2 ± 0.4 Å³
Cell temperature	198.15 ± 0.1 K
Ambient diffraction temperature	198.15 ± 0.1 K
Number of distinct elements	5
Space group number	187
Hermann-Mauguin space group symbol	P -6 m 2
Hall space group symbol	P -6 2
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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