Crystallography Open Database

Information card for entry 7709629

Preview

Coordinates	7709629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H102 N16 O4 Zn2
Calculated formula	C152 H102 N16 O4 Zn2
Title of publication	Pyrene and porphyrin-based Zn metal 1-D-polymer: synthesis, molecular structure, and photocatalytic property
Authors of publication	Gupta, Gajendra; Kim, Miyeon; Singh, Neetu; Lee, Junseong; Lee, Chang Yeon
Journal of publication	Dalton Transactions
Year of publication	2022
a	15.2278 ± 0.0013 Å
b	20.3428 ± 0.0014 Å
c	20.3837 ± 0.0019 Å
α	90°
β	110.889 ± 0.006°
γ	90°
Cell volume	5899.4 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.172
Residual factor for significantly intense reflections	0.1412
Weighted residual factors for significantly intense reflections	0.3535
Weighted residual factors for all reflections included in the refinement	0.3713
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7709629.html