Crystallography Open Database

Information card for entry 7716850

Preview

Coordinates	7716850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 O4
Calculated formula	C10 H10 O4
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	14.446 ± 0.004 Å
b	5.5867 ± 0.0018 Å
c	21.823 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1761.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
295252 (current)	2024-10-06	cif/ Updating files of 7716846, 7716847, 7716848, 7716849, 7716850 Original log message: Adding full bibliography for 7716846--7716850.cif.	7716850.cif
294155	2024-08-17	cif/ Adding structures of 7716846, 7716847, 7716848, 7716849, 7716850 via cif-deposit CGI script.	7716850.cif