Crystallography Open Database

Information card for entry 1571999

1571998 << 1571999 >> 1572000

Preview

Coordinates	1571999.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NPU-1-TPT
Formula	C66 H45 Mn6 N12 O20
Calculated formula	C66 H45 Mn6 N12 O20
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	17.1992 ± 0.0013 Å
b	29.767 ± 0.003 Å
c	21.8387 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	11180.7 ± 1.7 Å³
Cell temperature	150.15 ± 0.1 K
Ambient diffraction temperature	150.15 ± 0.1 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2085
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293777 (current)	2024-08-05	cif/ Updating files of 1571999, 1572000 Original log message: Adding full bibliography for 1571999--1572000.cif.	1571999.cif
292588	2024-06-26	cif/ Adding structures of 1571999, 1572000 via cif-deposit CGI script.	1571999.cif