Crystallography Open Database

Information card for entry 7134019

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Coordinates	7134019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Cl2 N6 O8 Zn
Calculated formula	C30 H24 Cl2 N6 O8 Zn
Title of publication	Harnessing thermal waste with a poling-free molecular pyroelectric zinc(II) complex.
Authors of publication	Haldar, Rajashi; Naskar, Sudip; Jana, Bapan; Mandal, Dipankar; Shanmugam, Maheswaran
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	61
Journal issue	2
Pages of publication	318 - 321
a	22.9073 ± 0.0008 Å
b	14.4467 ± 0.0004 Å
c	21.789 ± 0.0007 Å
α	90°
β	114.642 ± 0.004°
γ	90°
Cell volume	6554.1 ± 0.4 Å³
Cell temperature	300 ± 0.1 K
Ambient diffraction temperature	300 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.0833
Weighted residual factors for significantly intense reflections	0.2264
Weighted residual factors for all reflections included in the refinement	0.2631
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
298019 (current)	2025-03-04	cif/ Updating files of 7134019, 7134020, 7134021 Original log message: Adding full bibliography for 7134019--7134021.cif.	7134019.cif
296137	2024-11-28	cif/ Adding structures of 7134019, 7134020, 7134021 via cif-deposit CGI script.	7134019.cif