Crystallography Open Database

Information card for entry 7716849

Preview

Coordinates	7716849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 Br N4 O Zn
Calculated formula	C18 H13 Br N4 O Zn
Title of publication	Chemical CO2 fixation using a cyanido bridged heterometallic Zn(ii)–Mn(ii) 2D coordination polymer
Authors of publication	Dadmehr, Parvaneh; Bikas, Rahman; Lis, Tadeusz
Journal of publication	Dalton Transactions
Year of publication	2024
Journal volume	53
Journal issue	36
Pages of publication	15246 - 15257
a	8.7892 ± 0.0019 Å
b	13.133 ± 0.003 Å
c	16.077 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1855.7 ± 0.7 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.2154
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295252 (current)	2024-10-06	cif/ Updating files of 7716846, 7716847, 7716848, 7716849, 7716850 Original log message: Adding full bibliography for 7716846--7716850.cif.	7716849.cif
294155	2024-08-17	cif/ Adding structures of 7716846, 7716847, 7716848, 7716849, 7716850 via cif-deposit CGI script.	7716849.cif